Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 14/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1842406 | 0.99 | AR (0.40) | ARPIK3CARXRAGRIN1GRIN2B | |
| SCHEMBL1843580 | 0.81 | CYP1A2 (0.44) | AR | |
| Iodide SCHEMBL21404890 | 0.73 | STK17A (0.35) | AR | |
| SCHEMBL20198943 | 0.67 | IDO1 (0.41) | ARPIK3CA | |
| SCHEMBL30449560 | 0.67 | IDO1 (0.41) | ARPIK3CA | |
| Iodide SCHEMBL30865863 | 0.66 | AR (0.45) | ARPIK3CA | |
| SCHEMBL21118137 | 0.65 | IDO1 (0.39) | ARPIK3CARXRAGRIN1GRIN2B | |
| Iodide SCHEMBL145298 | 0.64 | IDO1 (0.46) | ARPIK3CARXRAGRIN1GRIN2B | |
| SCHEMBL30865862 | 0.64 | AR (0.46) | ARPIK3CA | |
| SCHEMBL21118144 | 0.63 | IDO1 (0.40) | ARPIK3CA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2315756-A2 | 1,2,5-OXADIAZOLES AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE | Incyte Corporation (US) | 2011-05-04 | — | — | EP | disclosed |